N-(heptan-4-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

HCID 57527752
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Basic information

Standard SMILES
CCCC(CCC)NC(=O)c1cc(C)nn1C
InChIKey
MTZVBKVNLMEYOJ-UHFFFAOYSA-N
Molecular formula
C13H23N3O
Average molar mass
237.34 g/mol
Monoisotopic mass
237.18411237

Names & identifiers

Preferred name
N-(heptan-4-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
IUPAC
N-heptan-4-yl-2,5-dimethylpyrazole-3-carboxamide

Names & synonyms

SCHEMBL702301MTZVBKVNLMEYOJ-UHFFFAOYSA-NN-(heptan-4-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

Database identifiers

PubChem CID
57527752

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
46.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
17

Related reactions

4 records
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Linked notes

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